3-hydrazinylpyridazine hydrochloride

• ChemBase ID: 88331
• Molecular Formular: C4H7ClN4
• Molecular Mass: 146.57818
• Monoisotopic Mass: 146.03592392
• SMILES: n1nc(ccc1)NN.Cl
• Canonical SMILES: NNc1cccnn1.Cl
• InChI: InChI=1S/C4H6N4.ClH/c5-7-4-2-1-3-6-8-4;/h1-3H,5H2,(H,7,8);1H
• InChIKey: JSNMMGFCLNVBEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylpyridazine hydrochloride
• IUPAC Traditional name: 3-hydrazinylpyridazine hydrochloride
• Synonyms: 3-hydrazinylpyridazine hydrochloride; (Pyridazin-3-yl)hydrazine hydrochloride; 3-Hydrazinopyridazine hydrochloride

Database IDs

• CAS Number: 117043-87-5
• MDL Number: MFCD09258883; MFCD11226159
• PubChem SID: 162075304
• PubChem CID: 21455992

CALCULATED PROPERTIES

• Acid pKa: 17.942818
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.75463223
• LogD (pH = 7.4): -0.25059995
• Log P: -0.23809642
• Molar Refractivity: 33.7846 cm^3
• Polarizability: 11.120494 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C; 210-212°C
• Hydrophobicity(logP): -0.0010

Safety Information

• Storage Warning: Irritant/Store under Argon/Keep Cold

Product Information

• Purity: 95%